(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone

C21H24N2O3S — CID 51201013

IUPAC(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O
InChIInChI=1S/C21H24N2O3S/c1-14-6-8-19-16(11-14)5-4-10-22(19)21(24)17-7-9-20-18(13-17)12-15(2)23(20)27(3,25)26/h6-9,11,13,15H,4-5,10,12H2,1-3H3
InChIKeyJWOAFUUORLWRKZ-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.30
Rot. Bonds2

About (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone

(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone (PubChem CID 51201013) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone.

Molecular Properties

Compound Name(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
PubChem CID51201013
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O
InChIInChI=1S/C21H24N2O3S/c1-14-6-8-19-16(11-14)5-4-10-22(19)21(24)17-7-9-20-18(13-17)12-15(2)23(20)27(3,25)26/h6-9,11,13,15H,4-5,10,12H2,1-3H3
InChIKeyJWOAFUUORLWRKZ-UHFFFAOYSA-N
XLogP3.30
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55873819
(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid
CID 7129137
azocan-1-yl-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 51200417
azepan-1-yl-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]methanone
CID 9036686
(3,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103955497
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone
CID 26083928
(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 46530769
[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55586978
(3-amino-4-methoxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 24696393
[4-(difluoromethylsulfonyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 26083698
(2R)-N-(2-hydroxy-4-methylphenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51537692
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 8758893

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone?
The IUPAC name of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone (CID 51201013) is (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone.
What is the SMILES notation for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone?
The canonical SMILES for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone is Cc1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O.
What is the InChIKey of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone?
The InChIKey is JWOAFUUORLWRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-14-6-8-19-16(11-14)5-4-10-22(19)21(24)17-7-9-20-18(13-17)12-15(2)23(20)27(3,25)26/h6-9,11,13,15H,4-5,10,12H2,1-3H3.
What are the key properties of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone?
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone has a molecular weight of 384.50 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone is sourced from PubChem (CID 51201013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).